Atsushi Togo 2fb353f4b5 Add document for pypolymlp interface		2024-09-19 16:14:53 +09:00
..
AlN-LDA	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
NaCl-alm	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
NaCl-pypolymlp	Add document for pypolymlp interface	2024-09-19 16:14:53 +09:00
NaCl-rd	Fix handling datasets with random disps and update docs	2024-08-04 17:27:30 +09:00
Si-CRYSTAL	Update doc	2024-08-08 11:19:11 +09:00
Si-LDA	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
Si-PBE	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
Si-PBEsol	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
Si-QE	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
Si-TURBOMOLE	Refactoring using pre-commit setting	2021-10-15 16:49:41 +09:00
Wigner_La2Zr2O7	Added example on how to use the --wigner option with --read-gamma in La2Zr2O7. fc2 have been compressed as much as possible (they were imported from a DFPT calculation with QE) and only two temperatures are reported in the example. Output file tc_La2Zr2O7.out has been compressed to reduce the size. Total file size is now about 1.5MB (before compressing tc_La2Zr2O7.out was 2.3 MB).	2022-05-28 14:14:31 +01:00
zb-ZnTe-PBEsol	[pre-commit.ci] auto fixes from pre-commit.com hooks	2024-01-29 21:20:40 +00:00